[4-(4-ethylpiperazin-1-yl)phenyl]-[(3S)-3-methylpiperazin-1-yl]methanone

C18H28N4O — CID 124684035

IUPAC[4-(4-ethylpiperazin-1-yl)phenyl]-[(3S)-3-methylpiperazin-1-yl]methanone
SMILESCCN1CCN(c2ccc(C(=O)N3CCN[C@@H](C)C3)cc2)CC1
InChIInChI=1S/C18H28N4O/c1-3-20-10-12-21(13-11-20)17-6-4-16(5-7-17)18(23)22-9-8-19-15(2)14-22/h4-7,15,19H,3,8-14H2,1-2H3/t15-/m0/s1
InChIKeySWZRWEKAZXHEBJ-HNNXBMFYSA-N
MW316.45 g/mol
LogP1.26
Rot. Bonds3

About [4-(4-ethylpiperazin-1-yl)phenyl]-[(3S)-3-methylpiperazin-1-yl]methanone

[4-(4-ethylpiperazin-1-yl)phenyl]-[(3S)-3-methylpiperazin-1-yl]methanone (PubChem CID 124684035) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is [4-(4-ethylpiperazin-1-yl)phenyl]-[(3S)-3-methylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-(4-ethylpiperazin-1-yl)phenyl]-[(3S)-3-methylpiperazin-1-yl]methanone
PubChem CID124684035
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name[4-(4-ethylpiperazin-1-yl)phenyl]-[(3S)-3-methylpiperazin-1-yl]methanone
SMILESCCN1CCN(c2ccc(C(=O)N3CCN[C@@H](C)C3)cc2)CC1
InChIInChI=1S/C18H28N4O/c1-3-20-10-12-21(13-11-20)17-6-4-16(5-7-17)18(23)22-9-8-19-15(2)14-22/h4-7,15,19H,3,8-14H2,1-2H3/t15-/m0/s1
InChIKeySWZRWEKAZXHEBJ-HNNXBMFYSA-N
XLogP1.26
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-ethylphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81426419
1-[4-(3-methylpiperazine-1-carbonyl)phenyl]ethanone;hydrochloride
CID 119576231
[(3S)-3-methylpiperazin-1-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone
CID 124693440
(4-methoxyphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81427852
N-[4-(3-methylpiperazine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119576157
1-[4-(3-methylpiperazine-1-carbonyl)phenyl]diazinane-3,6-dione
CID 119577791
(4-amino-3,3-dimethylpiperidin-1-yl)-[4-(4-ethylpiperazin-1-yl)phenyl]methanone;dihydrochloride
CID 120819644
[(3R)-3-methylpiperazin-1-yl]-[4-(pyrazol-1-ylmethyl)phenyl]methanone
CID 124695746
(3-hydroxyphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81426598
[(3R)-3-methylpiperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 104891401
(4-bromo-3-methylsulfonylphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 124591085
(3,5-difluorophenyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119576197

Frequently Asked Questions

What is the IUPAC name of [4-(4-ethylpiperazin-1-yl)phenyl]-[(3S)-3-methylpiperazin-1-yl]methanone?
The IUPAC name of [4-(4-ethylpiperazin-1-yl)phenyl]-[(3S)-3-methylpiperazin-1-yl]methanone (CID 124684035) is [4-(4-ethylpiperazin-1-yl)phenyl]-[(3S)-3-methylpiperazin-1-yl]methanone.
What is the SMILES notation for [4-(4-ethylpiperazin-1-yl)phenyl]-[(3S)-3-methylpiperazin-1-yl]methanone?
The canonical SMILES for [4-(4-ethylpiperazin-1-yl)phenyl]-[(3S)-3-methylpiperazin-1-yl]methanone is CCN1CCN(c2ccc(C(=O)N3CCN[C@@H](C)C3)cc2)CC1.
What is the InChIKey of [4-(4-ethylpiperazin-1-yl)phenyl]-[(3S)-3-methylpiperazin-1-yl]methanone?
The InChIKey is SWZRWEKAZXHEBJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H28N4O/c1-3-20-10-12-21(13-11-20)17-6-4-16(5-7-17)18(23)22-9-8-19-15(2)14-22/h4-7,15,19H,3,8-14H2,1-2H3/t15-/m0/s1.
What are the key properties of [4-(4-ethylpiperazin-1-yl)phenyl]-[(3S)-3-methylpiperazin-1-yl]methanone?
[4-(4-ethylpiperazin-1-yl)phenyl]-[(3S)-3-methylpiperazin-1-yl]methanone has a molecular weight of 316.45 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-ethylpiperazin-1-yl)phenyl]-[(3S)-3-methylpiperazin-1-yl]methanone is sourced from PubChem (CID 124684035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).